==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (O-GLYCOSYL) 05-FEB-88 1L16 . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR T.M.GRAY,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8691.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 121 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 8 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 53.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 1 0 1 2 0 0 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 88 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 156.9 37.0 -23.5 9.0 2 2 A N > - 0 0 73 95,-0.0 4,-2.5 1,-0.0 3,-0.3 -0.818 360.0 -85.7-137.1 175.5 34.8 -21.1 10.9 3 3 A I H > S+ 0 0 21 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.821 123.9 52.2 -52.5 -41.1 34.5 -17.3 11.3 4 4 A F H > S+ 0 0 74 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.915 112.3 44.7 -66.4 -41.7 37.1 -17.1 14.1 5 5 A E H > S+ 0 0 88 -3,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.884 113.4 51.4 -68.4 -39.8 39.7 -19.0 12.2 6 6 A M H >X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 3,-0.6 0.961 112.5 44.7 -61.7 -53.6 39.0 -17.0 9.1 7 7 A L H 3X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 5,-0.3 0.812 108.3 57.8 -64.2 -26.3 39.4 -13.7 10.9 8 8 A R H 3X S+ 0 0 93 -4,-1.4 4,-1.8 -5,-0.2 -1,-0.2 0.858 105.0 49.4 -77.8 -22.3 42.4 -14.7 12.6 9 9 A I H << S+ 0 0 61 -4,-1.4 -2,-0.2 -3,-0.6 -1,-0.2 0.904 116.5 43.9 -71.4 -45.9 44.2 -15.5 9.4 10 10 A D H < S+ 0 0 20 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.826 125.5 30.3 -70.7 -32.6 43.1 -12.0 8.0 11 11 A E H < S- 0 0 35 -4,-2.3 19,-0.3 -5,-0.2 -3,-0.2 0.745 89.8-156.2-100.3 -34.1 43.9 -10.0 11.1 12 12 A G < - 0 0 18 -4,-1.8 2,-0.4 -5,-0.3 -1,-0.1 -0.142 25.7 -84.1 77.2-176.0 46.8 -11.9 12.8 13 13 A L + 0 0 41 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.988 42.5 171.0-135.5 126.2 47.6 -11.6 16.5 14 14 A R E -A 28 0A 124 14,-1.2 14,-2.6 -2,-0.4 4,-0.1 -0.998 19.4-165.5-136.6 127.9 49.7 -8.9 18.2 15 15 A L E S+ 0 0 67 -2,-0.4 43,-2.2 12,-0.2 2,-0.3 0.411 74.2 66.3 -92.2 0.4 50.0 -8.5 21.9 16 16 A K E S-C 57 0B 125 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.921 98.9 -89.3-124.0 144.9 51.5 -5.0 21.7 17 17 A I E + 0 0 23 39,-1.4 2,-0.3 -2,-0.3 10,-0.2 -0.288 58.6 170.7 -51.9 138.5 49.8 -1.8 20.5 18 18 A Y E -A 26 0A 34 8,-2.6 8,-3.3 -4,-0.1 2,-0.4 -0.889 33.4 -97.4-146.0 171.4 50.3 -1.5 16.8 19 19 A K E -A 25 0A 129 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.845 33.2-126.1-102.3 136.6 49.2 0.5 13.8 20 20 A D > - 0 0 55 4,-2.8 3,-1.3 -2,-0.4 -1,-0.1 0.049 37.9 -98.5 -55.5 171.9 46.5 -0.6 11.3 21 21 A T T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.800 134.4 54.7 -65.9 -26.1 47.1 -0.7 7.6 22 22 A E T 3 S- 0 0 87 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.436 125.7-105.1 -82.7 -7.7 45.4 2.6 8.1 23 23 A G S < S+ 0 0 36 -3,-1.3 2,-0.3 1,-0.3 -2,-0.1 0.461 75.1 139.6 91.5 6.0 47.8 3.9 10.6 24 24 A Y - 0 0 71 1,-0.1 -4,-2.8 -5,-0.0 2,-0.3 -0.598 60.6-101.7 -90.9 149.6 45.4 3.4 13.5 25 25 A Y E +AB 19 34A 34 9,-0.8 8,-3.4 11,-0.4 9,-1.3 -0.450 54.4 158.4 -66.9 120.8 46.1 2.2 16.9 26 26 A T E -AB 18 32A 3 -8,-3.3 -8,-2.6 -2,-0.3 2,-0.3 -0.881 20.1-169.7-140.0 165.4 45.1 -1.5 17.3 27 27 A I E > + B 0 31A 0 4,-1.6 4,-1.7 -2,-0.3 -12,-0.2 -0.983 51.9 1.2-152.7 163.3 45.8 -4.5 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.6 -14,-1.2 -2,-0.3 2,-0.9 -0.347 122.2 -5.1 66.7-130.9 45.1 -8.3 19.6 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.628 127.4 -53.2 -99.9 73.5 43.1 -9.7 16.7 30 30 A G T 4 S+ 0 0 16 -2,-0.9 2,-1.1 -19,-0.3 -2,-0.2 0.724 83.5 158.7 69.0 21.7 42.2 -6.6 14.8 31 31 A H E < -B 27 0A 34 -4,-1.7 -4,-1.6 1,-0.0 -1,-0.2 -0.652 33.7-144.9 -81.2 99.8 40.7 -4.7 17.8 32 32 A L E -B 26 0A 69 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.376 17.7-175.1 -62.8 128.7 40.8 -1.1 16.8 33 33 A L E - 0 0 14 -8,-3.4 2,-0.3 1,-0.4 -7,-0.2 0.900 58.2 -23.3 -93.1 -48.2 41.5 1.1 19.8 34 34 A T E -B 25 0A 26 -9,-1.3 -9,-0.8 2,-0.1 -1,-0.4 -0.985 36.5-139.0-160.2 154.2 41.2 4.7 18.6 35 35 A K S S+ 0 0 141 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.533 74.9 109.5 -93.3 -6.8 41.5 6.7 15.4 36 36 A S S S- 0 0 38 2,-0.1 -11,-0.4 1,-0.1 -2,-0.1 -0.324 74.8-127.6 -67.4 144.4 43.4 9.4 17.3 37 37 A P S S+ 0 0 121 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.567 76.2 101.4 -75.2 -8.7 47.0 10.0 16.7 38 38 A S > - 0 0 55 1,-0.2 4,-2.0 2,-0.0 5,-0.2 -0.700 56.2-158.6 -90.8 126.0 48.1 9.8 20.4 39 39 A L H > S+ 0 0 67 -2,-0.6 4,-2.0 1,-0.3 -1,-0.2 0.779 99.8 58.3 -60.0 -29.3 49.6 6.7 21.7 40 40 A N H > S+ 0 0 127 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.930 103.1 48.9 -71.3 -40.0 48.5 8.0 25.0 41 41 A A H > S+ 0 0 35 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.887 112.4 50.7 -63.5 -34.2 44.8 8.1 23.9 42 42 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.888 108.6 51.3 -69.6 -39.1 45.2 4.5 22.6 43 43 A K H X S+ 0 0 44 -4,-2.0 4,-2.1 2,-0.2 11,-0.2 0.881 109.6 50.4 -64.4 -36.4 46.7 3.4 25.9 44 44 A S H X S+ 0 0 73 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.912 109.4 49.1 -69.2 -43.4 43.9 4.9 27.8 45 45 A E H X S+ 0 0 66 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.908 109.6 55.4 -61.6 -41.0 41.3 3.2 25.6 46 46 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.3 0.956 108.0 45.0 -59.3 -51.0 43.1 -0.1 26.1 47 47 A D H X>S+ 0 0 33 -4,-2.1 4,-2.4 1,-0.2 5,-0.9 0.869 112.8 52.5 -61.8 -35.4 43.1 -0.0 29.9 48 48 A K H <5S+ 0 0 145 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.928 111.6 47.7 -63.4 -45.3 39.4 1.0 29.7 49 49 A A H <5S+ 0 0 45 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.858 121.6 33.0 -64.8 -38.1 38.7 -2.0 27.4 50 50 A I H <5S- 0 0 36 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.742 100.3-127.3 -93.7 -29.3 40.6 -4.6 29.6 51 51 A G T <5S+ 0 0 66 -4,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.807 76.5 76.7 82.2 32.8 39.9 -3.2 33.0 52 52 A R S - 0 0 5 -2,-0.9 3,-1.0 -11,-0.2 -1,-0.2 0.770 32.9-146.1 -98.4 -30.5 48.2 -2.7 30.7 55 55 A N T 3 S- 0 0 121 1,-0.3 3,-0.1 -12,-0.2 -2,-0.1 0.844 77.0 -52.6 64.9 38.2 50.9 -0.3 29.6 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.4 1,-0.2 2,-0.4 0.590 119.4 101.5 77.6 7.8 50.2 -1.2 26.0 57 57 A V B < +C 16 0B 63 -3,-1.0 2,-0.2 -41,-0.2 -41,-0.2 -0.987 43.1 178.1-134.1 136.3 50.5 -4.9 26.4 58 58 A I - 0 0 5 -43,-2.2 2,-0.2 -2,-0.4 -30,-0.1 -0.784 26.5-113.2-124.2 167.1 47.9 -7.7 26.8 59 59 A T > - 0 0 67 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.479 34.8-105.0 -92.9 167.8 48.0 -11.5 27.1 60 60 A K H > S+ 0 0 109 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.881 122.1 56.0 -58.7 -38.3 46.7 -14.1 24.6 61 61 A D H > S+ 0 0 108 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.872 105.8 46.9 -59.7 -46.5 43.7 -14.5 26.8 62 62 A E H > S+ 0 0 28 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.911 110.3 55.3 -67.8 -39.5 42.8 -10.9 26.8 63 63 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -34,-0.4 0.894 109.5 46.0 -59.8 -44.6 43.2 -10.8 23.0 64 64 A E H X S+ 0 0 83 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.757 109.2 55.6 -71.5 -25.7 40.8 -13.7 22.6 65 65 A K H X S+ 0 0 107 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.953 109.5 45.2 -70.0 -45.0 38.4 -12.1 24.9 66 66 A L H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.879 112.0 54.9 -62.6 -38.6 38.3 -8.9 22.9 67 67 A F H X S+ 0 0 13 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.938 105.7 49.7 -63.1 -47.0 38.0 -11.1 19.8 68 68 A N H X S+ 0 0 92 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.928 113.2 48.4 -58.7 -39.2 34.9 -13.0 21.1 69 69 A Q H X S+ 0 0 97 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.873 111.2 49.0 -66.2 -40.8 33.3 -9.6 21.9 70 70 A D H X S+ 0 0 35 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.866 112.5 46.8 -67.9 -38.4 34.1 -8.1 18.5 71 71 A V H X S+ 0 0 6 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.955 112.9 50.2 -66.0 -49.7 32.7 -11.1 16.6 72 72 A D H X S+ 0 0 80 -4,-2.3 4,-2.3 -5,-0.3 5,-0.3 0.935 111.9 48.2 -51.8 -49.3 29.6 -11.1 18.7 73 73 A A H X S+ 0 0 44 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.871 109.0 53.4 -63.9 -38.1 29.1 -7.4 18.1 74 74 A A H X S+ 0 0 9 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.956 110.9 45.7 -60.7 -51.3 29.6 -7.7 14.3 75 75 A V H X S+ 0 0 35 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.942 115.4 47.4 -55.2 -49.9 26.9 -10.4 14.0 76 76 A R H X S+ 0 0 131 -4,-2.3 4,-1.6 1,-0.3 5,-0.2 0.891 110.5 51.4 -62.6 -40.3 24.5 -8.5 16.2 77 77 A G H X S+ 0 0 2 -4,-2.6 4,-0.9 -5,-0.3 -1,-0.3 0.905 107.8 51.2 -66.8 -37.1 25.0 -5.4 14.4 78 78 A I H >< S+ 0 0 0 -4,-2.2 3,-0.7 1,-0.2 7,-0.5 0.947 111.2 50.8 -55.1 -49.4 24.3 -7.2 11.1 79 79 A L H 3< S+ 0 0 69 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.688 111.3 46.8 -61.4 -28.6 21.1 -8.4 12.7 80 80 A R H 3< S+ 0 0 182 -4,-1.6 2,-0.5 -3,-0.2 -1,-0.2 0.527 92.4 96.5 -91.2 -14.8 20.0 -4.9 13.8 81 81 A N > S+ 0 0 0 -6,-0.2 4,-2.5 -7,-0.2 3,-0.6 0.869 101.9 67.8 -84.8 -41.7 22.4 -5.9 6.3 85 85 A K H 3X S+ 0 0 78 -4,-2.9 4,-2.5 -7,-0.5 5,-0.2 0.842 98.8 48.3 -46.1 -53.0 19.8 -8.2 7.9 86 86 A P H 3> S+ 0 0 55 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.805 113.5 48.4 -61.6 -34.2 18.0 -9.2 4.7 87 87 A V H <> S+ 0 0 3 -3,-0.6 4,-1.0 -4,-0.4 3,-0.4 0.964 112.0 48.0 -69.2 -50.7 21.2 -10.0 2.9 88 88 A Y H >< S+ 0 0 35 -4,-2.5 3,-0.9 1,-0.3 -3,-0.2 0.910 111.3 51.7 -53.7 -47.3 22.6 -12.0 5.8 89 89 A D H 3< S+ 0 0 78 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.819 107.2 53.8 -63.0 -30.9 19.3 -14.0 6.0 90 90 A S H 3< S+ 0 0 32 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.693 97.2 86.2 -77.1 -19.6 19.4 -14.7 2.3 91 91 A L S << S- 0 0 4 -4,-1.0 31,-0.0 -3,-0.9 30,-0.0 -0.549 73.8-122.3 -90.5 153.7 22.9 -16.2 2.4 92 92 A D > - 0 0 53 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.179 44.5 -88.7 -79.7 171.8 24.2 -19.7 3.2 93 93 A A H > S+ 0 0 72 1,-0.2 4,-1.7 2,-0.2 -2,-0.1 0.870 122.1 46.9 -51.7 -53.2 26.7 -20.4 6.0 94 94 A V H > S+ 0 0 27 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.933 115.0 47.5 -58.5 -46.7 30.0 -19.9 4.2 95 95 A R H > S+ 0 0 15 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.806 104.5 60.0 -66.3 -30.9 28.8 -16.6 2.6 96 96 A R H X S+ 0 0 80 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.928 102.5 54.0 -64.1 -37.4 27.5 -15.4 5.9 97 97 A C H X S+ 0 0 19 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.884 104.9 54.0 -59.9 -39.7 31.1 -15.7 7.2 98 98 A A H X S+ 0 0 0 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.867 109.8 46.9 -63.5 -36.4 32.3 -13.5 4.3 99 99 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.925 110.3 52.2 -71.7 -41.9 29.8 -10.8 5.1 100 100 A I H X S+ 0 0 8 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.902 105.8 55.7 -55.7 -44.9 30.7 -10.9 8.8 101 101 A N H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.947 108.1 48.4 -55.8 -48.7 34.4 -10.5 7.8 102 102 A M H X S+ 0 0 3 -4,-1.8 4,-2.6 1,-0.2 5,-0.3 0.891 111.4 49.3 -58.4 -44.6 33.6 -7.3 5.9 103 103 A V H X S+ 0 0 9 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.921 108.6 52.9 -63.2 -43.3 31.6 -5.9 8.9 104 104 A F H < S+ 0 0 32 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.951 116.8 38.8 -56.7 -46.9 34.4 -6.7 11.3 105 105 A Q H < S+ 0 0 57 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.881 133.5 18.8 -74.6 -38.2 37.0 -4.8 9.1 106 106 A M H X S- 0 0 55 -4,-2.6 4,-0.6 -5,-0.2 -3,-0.2 0.521 102.7-117.3-117.0 -4.4 35.0 -1.9 8.0 107 107 A G H X - 0 0 30 -4,-2.5 4,-2.3 -5,-0.3 5,-0.2 0.175 34.2 -77.7 79.5 156.5 32.0 -1.6 10.3 108 108 A E H > S+ 0 0 55 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.866 130.1 50.7 -50.2 -51.9 28.2 -1.9 9.7 109 109 A T H > S+ 0 0 117 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.938 108.1 51.0 -58.8 -50.5 28.1 1.5 8.2 110 110 A G H >< S+ 0 0 31 -4,-0.6 3,-0.8 1,-0.2 -2,-0.2 0.926 114.9 41.4 -55.1 -53.0 30.9 0.9 5.8 111 111 A V H >< S+ 0 0 1 -4,-2.3 3,-2.8 1,-0.2 -1,-0.2 0.897 105.8 63.3 -65.5 -40.7 29.5 -2.3 4.4 112 112 A A H 3< S+ 0 0 18 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.730 95.2 65.5 -58.0 -18.6 25.8 -0.9 4.3 113 113 A G T << S+ 0 0 53 -4,-0.9 2,-1.6 -3,-0.8 3,-0.3 0.620 75.3 85.4 -78.2 -12.9 27.2 1.5 1.8 114 114 A F <> + 0 0 40 -3,-2.8 4,-2.1 1,-0.2 3,-0.3 -0.244 57.3 158.5 -85.3 55.5 28.0 -1.1 -0.7 115 115 A T H > + 0 0 89 -2,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.839 65.5 46.0 -42.6 -55.8 24.4 -0.9 -2.0 116 116 A N H > S+ 0 0 83 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.898 113.8 46.9 -64.3 -43.7 24.9 -2.4 -5.4 117 117 A S H > S+ 0 0 2 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.838 110.4 53.6 -66.9 -34.7 26.9 -5.4 -4.3 118 118 A L H X S+ 0 0 12 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.907 108.1 50.5 -64.8 -42.8 24.5 -6.1 -1.5 119 119 A R H X S+ 0 0 112 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.936 111.5 48.7 -59.4 -46.9 21.7 -6.2 -4.0 120 120 A M H <>S+ 0 0 30 -4,-2.2 5,-2.5 2,-0.2 4,-0.3 0.863 109.7 50.2 -65.2 -35.9 23.7 -8.5 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-1.9 3,-1.8 3,-0.2 -1,-0.2 0.928 109.3 53.7 -68.7 -40.3 24.5 -10.9 -3.3 122 122 A Q H 3<5S+ 0 0 91 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.875 108.7 48.1 -58.4 -35.8 20.8 -10.9 -2.4 123 123 A Q T 3<5S- 0 0 99 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.470 114.3-120.1 -82.6 -4.2 20.0 -11.9 -6.0 124 124 A K T < 5 + 0 0 98 -3,-1.8 2,-1.0 -4,-0.3 -3,-0.2 0.804 62.4 147.1 64.7 37.0 22.7 -14.7 -5.9 125 125 A R >< + 0 0 127 -5,-2.5 4,-2.8 1,-0.2 5,-0.2 -0.736 18.8 173.0-101.3 77.6 24.6 -13.2 -8.8 126 126 A W H > S+ 0 0 45 -2,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.882 70.8 45.2 -56.6 -49.5 28.0 -14.3 -7.5 127 127 A D H > S+ 0 0 106 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.905 114.8 49.0 -65.5 -42.2 30.2 -13.4 -10.4 128 128 A E H > S+ 0 0 94 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.910 111.4 49.1 -65.5 -44.2 28.6 -10.0 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 -9,-0.2 -1,-0.2 0.855 106.9 55.1 -63.7 -37.8 28.9 -9.2 -7.2 130 130 A A H X S+ 0 0 10 -4,-1.9 4,-1.1 -5,-0.2 -1,-0.2 0.876 109.0 48.9 -61.7 -39.0 32.6 -10.2 -7.1 131 131 A V H X S+ 0 0 91 -4,-1.6 4,-0.5 2,-0.2 3,-0.3 0.959 113.8 45.5 -64.4 -48.4 33.3 -7.8 -10.0 132 132 A N H >< S+ 0 0 45 -4,-2.1 3,-0.8 1,-0.2 -2,-0.2 0.860 108.3 55.8 -62.5 -40.9 31.4 -4.9 -8.2 133 133 A L H 3< S+ 0 0 1 -4,-2.3 6,-0.4 1,-0.2 -1,-0.2 0.861 102.8 58.2 -59.6 -37.2 33.0 -5.5 -4.8 134 134 A A H 3< S+ 0 0 25 -4,-1.1 2,-1.9 -3,-0.3 -1,-0.2 0.693 86.4 79.4 -70.7 -18.4 36.5 -5.1 -6.4 135 135 A K S << S+ 0 0 149 -3,-0.8 2,-0.3 -4,-0.5 -1,-0.2 -0.449 82.6 94.9 -87.0 66.1 35.6 -1.7 -7.6 136 136 A S S > S- 0 0 21 -2,-1.9 4,-1.8 1,-0.1 3,-0.2 -0.992 85.6-115.1-152.6 161.7 36.3 -0.1 -4.2 137 137 A R H > S+ 0 0 139 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.918 115.1 64.0 -58.1 -43.8 38.8 1.6 -2.0 138 138 A W H > S+ 0 0 11 1,-0.2 4,-2.2 2,-0.2 8,-0.2 0.887 105.7 41.4 -45.6 -53.3 38.6 -1.5 0.1 139 139 A Y H 4 S+ 0 0 62 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.858 115.5 50.1 -67.4 -39.0 40.0 -3.8 -2.6 140 140 A N H < S+ 0 0 113 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.859 115.3 42.6 -68.7 -35.8 42.6 -1.3 -3.7 141 141 A Q H < S+ 0 0 100 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.842 133.3 17.7 -81.7 -36.1 43.9 -0.7 -0.1 142 142 A T S X S+ 0 0 24 -4,-2.2 4,-2.9 -5,-0.3 5,-0.2 -0.498 73.3 161.9-137.1 65.5 43.9 -4.4 1.1 143 143 A P H > + 0 0 48 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.829 69.7 52.1 -55.2 -44.3 43.8 -6.4 -2.1 144 144 A N H > S+ 0 0 110 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.948 116.4 40.4 -65.7 -42.6 45.0 -9.8 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.946 115.0 51.4 -66.6 -48.1 42.4 -9.9 2.0 146 146 A A H X S+ 0 0 0 -4,-2.9 4,-3.0 -8,-0.2 5,-0.3 0.923 110.5 52.5 -55.7 -43.0 39.6 -8.4 -0.3 147 147 A K H X S+ 0 0 83 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.897 106.5 49.7 -60.9 -39.2 40.5 -11.2 -2.7 148 148 A R H X S+ 0 0 50 -4,-1.7 4,-2.0 2,-0.2 12,-0.2 0.950 114.8 45.5 -62.7 -46.6 40.1 -13.9 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.931 112.8 49.9 -62.1 -46.9 36.7 -12.6 0.9 150 150 A I H X S+ 0 0 8 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.856 109.3 52.4 -60.5 -39.2 35.5 -12.1 -2.7 151 151 A T H X S+ 0 0 34 -4,-2.1 4,-2.7 -5,-0.3 6,-0.4 0.899 106.2 53.6 -64.6 -39.5 36.6 -15.6 -3.6 152 152 A T H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.941 111.4 44.8 -61.2 -46.9 34.6 -17.0 -0.7 153 153 A F H < S+ 0 0 2 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.923 116.7 48.0 -61.5 -44.0 31.5 -15.1 -1.9 154 154 A R H < S+ 0 0 85 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.905 124.3 26.1 -60.6 -48.1 32.2 -16.3 -5.5 155 155 A T H < S- 0 0 50 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.567 84.2-135.4 -97.6 -21.1 32.8 -20.0 -4.7 156 156 A D S < S+ 0 0 60 -4,-2.6 2,-0.3 -5,-0.3 -62,-0.1 0.736 73.6 102.5 67.6 18.6 31.0 -20.9 -1.6 157 157 A T S S- 0 0 45 -6,-0.4 3,-0.3 -5,-0.3 -1,-0.3 -0.819 77.9-125.2-128.0 170.7 34.1 -22.7 -0.5 158 158 A W S > S+ 0 0 36 -2,-0.3 3,-1.5 1,-0.2 4,-0.4 0.158 72.2 117.5 -98.5 16.2 37.0 -22.0 2.0 159 159 A D T >> + 0 0 87 1,-0.2 4,-1.2 2,-0.2 3,-0.7 0.761 65.3 63.3 -55.1 -31.6 39.7 -22.6 -0.6 160 160 A A H 3> S+ 0 0 14 -3,-0.3 4,-0.5 1,-0.3 -1,-0.2 0.764 111.6 38.6 -65.9 -24.0 41.1 -19.0 -0.4 161 161 A Y H <4 S+ 0 0 4 -3,-1.5 -1,-0.3 2,-0.2 -2,-0.2 0.396 100.6 79.1-101.6 -4.0 42.0 -19.7 3.2 162 162 A K H <4 S+ 0 0 125 -3,-0.7 -2,-0.2 -4,-0.4 -3,-0.1 0.896 96.4 45.2 -67.7 -47.8 43.0 -23.3 2.2 163 163 A N H < 0 0 139 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.935 360.0 360.0 -61.8 -47.4 46.2 -21.8 0.9 164 164 A L < 0 0 109 -4,-0.5 -1,-0.3 -5,-0.1 -2,-0.1 -0.367 360.0 360.0 -83.5 360.0 46.6 -19.7 4.1